[Wien] nlvdw for SnS2

[shamik chakrabarti]

Dear Sir,

         I have started to optimize the structural parameter of SnS2 with
non-local vanderwaals functionals. However when I edit case.in0 to put
XC_GGA_X_B86_R EC_LDA VC_LDA, lapw0 error appeared with LIBXC not
installed. I am using wien2k 19.1. Is it that we have to install the XC
functional separately or whether I am doing something wrong?

Now, I am running the structure optimization with XC_PBESOL in case.in0.
Again whether am I doing something wrong?

with regards,


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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